SCHEMBL7324344

SCHEMBL7324344

Cc1cc(C)c(C(O)CCCCCO)c(O)c1C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.32
TBXA2R P21731 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10058175 0.72 TLR8 (0.35) ALOX5TBXA2R
SCHEMBL7330296 0.72 TLR8 (0.35) ALOX5TBXA2R
SCHEMBL9082815 0.71 SLC6A2 (0.37)
SCHEMBL9508176 0.70 TBXA2R (0.47) ALOX5TBXA2R
SCHEMBL10711493 0.67 ADRB2 (0.33) ALOX5
SCHEMBL9083300 0.66 THRA (0.36) ALOX5
1,4-Butanediol SCHEMBL6249118 0.65 ALDH1A1 (0.46)
SCHEMBL24783640 0.64 ALOX5 (0.38) ALOX5TBXA2R
SCHEMBL24784362 0.64 ALOX5 (0.38) ALOX5TBXA2R
SCHEMBL204468 0.63 ALDH1A1 (0.47) TBXA2R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4559177-A HYPOTENSIVE, CARDIOTONIC AND ANTIPHYLATIC AGENTS; ANTIALLERGENS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-12-17 US disclosed
US-4525361-A FOR PHYSIOLOGICAL HOST DEFENSE CONTROL ACTIVITY IN MAMMALS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-06-25 US disclosed
US-4407757-A IMMUNOLOGY AGENT, MUSCLE RELAXANT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-10-04 US disclosed
US-4271083-A IMMUNO-POTENTIATING ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-06-02 US disclosed
EP-0021841-A2 2,3-Dialkoxy-1,4-quinone derivatives; method of producing 1,4-quinone derivatives Takeda Chemical Industries, Ltd. (JP) 1981-01-07 EP disclosed
US-4139545-A IMMUNO-POTENTIATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-02-13 US disclosed